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This molecule without stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2 S 212.26 209.95
3 T 38.98 43.1
4 T 26.07 30.42
5 T 61.52 62.18
7 T 42.84 42.7
8 T 24.06 24.15
9 T 25.23 25.32
10 T 37.57 38.34
11 D 71.61 71.4
13 T 38.21 37.1
14 T 23.89 25.5
15 T 34.26 32.5
16 D 75.85 71.95
18 D 66.90 59.95
20 D 64.60 67.44
21 T 64.50 61.91
23 D 80.90 78.5
25 D 80.60 81.58





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 209.95 212.26
3 T 43.10 38.98
4 T 30.42 26.07
5 T 62.18 61.52
7 T 42.70 42.84
8 T 24.15 24.06
9 T 25.32 25.23
10 T 38.34 37.57
11 D 71.40 71.61
13 T 37.10 38.21
14 T 25.50 23.89
15 T 32.50 34.26
16 D 71.95 75.85
18 D 59.95 66.9
20 D 67.44 64.6
21 T 61.91 64.5
23 D 78.50 80.9
25 D 81.58 80.6






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